Molecule

ID:116440

General Information
Structure
MolImage
Molecular Formula
C₈H₈ClN₅
Molecular Mass
209.63562
Exact Mass
209.04682296
Charge
0
InChI
InChI=1S/C8H8ClN5/c9-6-1-3-7(4-2-6)14-8(5-10)11-12-13-14/h1-4H,5,10H2
InChIKey
UHHGKBCWUQUVBQ-UHFFFAOYSA-N
Canonic Smiles
NCc1nnnn1c1ccc(cc1)Cl
Isomeric Smiles
n1(c(nnn1)CN)c1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.3327029
LogD (pH = 7.4)
0.33561158
Log P
0.8136497
Molar Refractivity
55.5981
Polarizability
20.89896
Polar Surface Area
69.62
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation